SCHEMBL2674418

SCHEMBL2674418

CCc1cc(-c2ccc(CNC(C)c3cn[nH]c3)o2)c(C)[nH]c1=O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ HRH1 P35367 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2E1 P05181 1/20 0.30
▸ CYP2C8 P10632 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2A6 P11509 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2B6 P20813 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ S1PR1 P21453 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14837202 0.77 PARP1 (0.33) HRH1
SCHEMBL918234 0.75 PARP1 (0.34) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2673997 0.73 KDM4E (0.36) CYP1A2CYP2D6CYP2C9CYP2C19S1PR1
SCHEMBL14142612 0.72 CYP2D6 (0.36) CYP1A2CYP2E1CYP2C8CYP2D6CYP2A6
SCHEMBL2672706 0.72 CYP2A6 (0.49) CYP1A2CYP2E1CYP2C8CYP2D6CYP2A6
SCHEMBL2673527 0.72 ALDH1A1 (0.46) CYP1A2CYP2E1CYP2C8CYP2D6CYP2A6
SCHEMBL6372683 0.71 LDHA (0.44) ROCK1S1PR1
Cyclopentane SCHEMBL14142670 0.71 ALDH1A1 (0.34) HRH1CYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL2673379 0.70 LDHA (0.43) ROCK1S1PR1
SCHEMBL2674415 0.70 ALDH1A1 (0.35) CYP1A2CYP2E1CYP2C8CYP2D6CYP2A6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 — — EP claimed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — US claimed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US claimed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 — — EP claimed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 — — WO claimed
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 — — EP disclosed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 — — US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 ROCK2 1371/4885ROCK1 963/4885HTR1A 149/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 ROCK2 1371/4885ROCK1 963/4885HTR1A 149/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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